(R)-3-Cyclohexenecarboxylic Acid - CAS 5709-98-8

Catalog:	BB029580
Product Name:	(R)-3-Cyclohexenecarboxylic Acid
CAS:	5709-98-8
Synonyms:	(1R)-1-cyclohex-3-enecarboxylic acid; (1R)-cyclohex-3-ene-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	(1R)-cyclohex-3-ene-1-carboxylic acid
Description:	An intermediate of Leustroducsin B (LSN-B), a novel colony-stimulating factor (CSF) inducer, which was isolated from Streptomyces platensis.
Molecular Weight:	126.15
Molecular Formula:	C7H10O2
Canonical SMILES:	C1CC(CC=C1)C(=O)O
InChI:	InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m0/s1
InChI Key:	VUSWCWPCANWBFG-LURJTMIESA-N
Boiling Point:	241.7 °C at 760 mmHg
Density:	1.126 g/cm³
Appearance:	Pale yellow to yellow brown liquid
LogP:	1.42730

Publication Number	Title	Priority Date
CN-112813131-A	Carboxylesterase and application thereof in producing cyclohexenecarboxylic acid by kinetic resolution of cyclohexenecarboxylate	20210218
CN-112645813-A	Preparation method of (R) -3-cyclohexenecarboxylic acid	20201225
CN-111778229-A	Cyclohexene carboxylate hydrolase, mutant thereof, encoding gene, expression vector, recombinant bacterium and application	20200723
CN-111825563-A	Preparation method of beta-homoglutamic acid	20200701
CN-112028758-A	Process for the preparation of hydroxyaldehydes and process for resolving optical isomers using electrodialysis techniques	20200525

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	126.068079557
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3